5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane

C8H13F4O3P — CID 142714949

IUPAC5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(OCC(F)(F)C(F)F)OC1
InChIInChI=1S/C8H13F4O3P/c1-7(2)3-13-16(14-4-7)15-5-8(11,12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyGCHVRHGOAOTEHR-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.20
Rot. Bonds4

About 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane

5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane (PubChem CID 142714949) has the molecular formula C8H13F4O3P and a molecular weight of 264.15 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane
PubChem CID142714949
Molecular FormulaC8H13F4O3P
Molecular Weight264.15 g/mol
Exact Mass264.05
IUPAC Name5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(OCC(F)(F)C(F)F)OC1
InChIInChI=1S/C8H13F4O3P/c1-7(2)3-13-16(14-4-7)15-5-8(11,12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyGCHVRHGOAOTEHR-UHFFFAOYSA-N
XLogP3.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane?
The IUPAC name of 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane (CID 142714949) is 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane?
The canonical SMILES for 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane is CC1(C)COP(OCC(F)(F)C(F)F)OC1.
What is the InChIKey of 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane?
The InChIKey is GCHVRHGOAOTEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4O3P/c1-7(2)3-13-16(14-4-7)15-5-8(11,12)6(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane?
5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane has a molecular weight of 264.15 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane is sourced from PubChem (CID 142714949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).